Copper-nickel tailings(CNTs),consisting of more than 80wt%magnesium-bearing silicate minerals,show great potential for CO_(2)mineral sequestration.The dissolution kinetics of CNTs in HCl solution was investigated thro...Copper-nickel tailings(CNTs),consisting of more than 80wt%magnesium-bearing silicate minerals,show great potential for CO_(2)mineral sequestration.The dissolution kinetics of CNTs in HCl solution was investigated through a leaching experiment and kinetic modeling,and the effects of reaction time,HCl concentration,solid-to-liquid ratio,and reaction temperature on the leaching rate of mag-nesium were comprehensively studied.Results show that the suitable leaching conditions for magnesium in CNTs are 2 M HCl,a solid-to-liquid ratio of 50 g·L^(−1),and 90℃,at which the maximum leaching rate of magnesium is as high as 83.88%.A modified shrinking core model can well describe the leaching kinetics of magnesium.The dissolution of magnesium was dominated by a combination of chemical reaction and product layer diffusion,with a calculated apparent activation energy of 77.51 kJ·mol^(−1).This study demonstrates the feasibil-ity of using CNTs as a media for CO_(2)mineral sequestration.展开更多
In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitati...In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitation/dissolution during continuous heating starting from the isothermal transformation kinetics. The proposed model, which presumes validity of the additivity rule, is validated by means of experimental investigations. A good agreement is found between experimental and analytical results.展开更多
The full alumina dissolution process in aluminum electrolysis cells was investigated using an improved computational fluid dynamics(CFD)model based on the previous researches by consideration of agglomerate formation....The full alumina dissolution process in aluminum electrolysis cells was investigated using an improved computational fluid dynamics(CFD)model based on the previous researches by consideration of agglomerate formation.The results show that the total mass of alumina agglomerate and its maximum size are mainly dependent on the feeding amount and increase with increasing it.Higher superheat can effectively inhibit the agglomerate formation and thus promote the full alumina dissolution behavior.The full alumina dissolution process mainly includes a fast stage and a slow stage,with an average dissolution rate of 17.24 kg/min and 1.53 kg/min,respectively.About 50%(mass percentage)of the total alumina particles,almost all of which are the well-dispersed alumina fine grains,dissolve within the fast dissolution stage of about 10 s.The maximum values of the average dissolution rate and final percentage of the cumulative dissolved alumina mass are obtained with a feeding amount of 1.8 kg for a superheat of 12℃.The formation of the alumina agglomerates and slow dissolution characteristics play a dominant role in the full dissolution of alumina particles.展开更多
A combined model to predict austenite grains growth of titanium micro-alloyed as-cast steel during reheating process was established.The model invoIves the behaviors of austenite grains growth in continuous heating pr...A combined model to predict austenite grains growth of titanium micro-alloyed as-cast steel during reheating process was established.The model invoIves the behaviors of austenite grains growth in continuous heating process and isothermal soaking process,and the variation of boundary pinning efficiency caused by the dissolution and coarsening kinetics of sec on d-phase particles was also con sidered into the model.Furthermore,the experimental verificatio ns were performed to examine the prediction power of the model.The results revealed that the mean austenite grains size increased with the increase in reheating temperature and soaking time,and the coarsening temperature of austenite grains growth was 1423 K under the current titanium content.In addition,the reliability of the predicted results in continuous heating process was validated by continuous heating experimenls.Moreover,an optimal regression expression of austenite grains growth in isothermal soaking process was obtained based on the experimental results.The compared results indicated that the combined model in conjunction with precipitates dissolution and coarsening kinetics had good reliability and accuracy to predict the austenite grains growth of titanium micro-alloyed casting steel during reheating process.展开更多
The deformation and failure of soft rock affected by hydro-mechanical（HM） effect are one of the most concerns in geotechnical engineering, which are basically attributed to the grain sliding of soft rock. This study...The deformation and failure of soft rock affected by hydro-mechanical（HM） effect are one of the most concerns in geotechnical engineering, which are basically attributed to the grain sliding of soft rock. This study tried to develop a dissolution-diffusion sliding model for the typical red bed soft rock in South China. Based on hydration film, mineral dissolution and diffusion theory, and geochemical thermodynamics, a dissolution-diffusion sliding model with the HM effect was established to account for the sliding rate. Combined with the digital image processing technology, the relationship between the grain size of soft rock and the amplitude of sliding surface was presented. An equation for the strain rate of soft rocks under steady state was also derived. The reliability of the dissolution-diffusion sliding model was verified by triaxial creep tests on the soft rock with the HM coupling effect and by the relationship between the inversion average disjoining pressure and the average thickness of the hydration film. The results showed that the sliding rate of the soft rock grains was affected significantly by the waviness of sliding surface, the shear stress, and the average thickness of hydration film. The average grain size is essential for controlling the steady-state creep rate of soft rock. This study provides a new idea for investigating the deformation and failure of soft rock with the HM effect.展开更多
The subsoil contains many evaporites such as limestone,gypsum,and salt.Such rocks are very sensitive to water.The deposit of evaporites raises questions because of their dissolution with time and the mechanical-geotec...The subsoil contains many evaporites such as limestone,gypsum,and salt.Such rocks are very sensitive to water.The deposit of evaporites raises questions because of their dissolution with time and the mechanical-geotechnical impact on the neighboring zone.Depending on the configuration of the site and the location of the rocks,the dissolution can lead to surface subsidence and,for instance,the formation of sinkholes and landslides.In this study,we present an approach that describes the dissolution process and its coupling with geotechnical engineering.In the first part we set the physico-mathematical framework,the hypothesis,and the limitations in which the dissolution process is stated.The physical interface between the fluid and the rock(porous)is represented by a diffuse interface of finite thickness.We briefly describe,in the framework of porous media,the steps needed to upscale the microscopic-scale(pore-scale)model to the macroscopic scale(Darcy scale).Although the constructed method has a large range of application,we will restrict it to saline and gypsum rocks.The second part is mainly devoted to the geotechnical consequences of the dissolution of gypsum material.We then analyze the effect of dissolution in the vicinity of a soil dam or slope and the partial dissolution of a gypsum pillar by a thin layer of water.These theoretical examples show the relevance and the potential of the approach in the general framework of geoengineering problems.展开更多
Response surface methodology (RSM) and Artificial neural network (ANN) were used for the simulation and optimization of galena dissolution in hydrochloric acid. The galena ore was characterized for structure elucidati...Response surface methodology (RSM) and Artificial neural network (ANN) were used for the simulation and optimization of galena dissolution in hydrochloric acid. The galena ore was characterized for structure elucidation using FTIR, SEM and X-ray diffraction spectroscopic techniques and the results indicate that the galena ore exists mainly as lead sulphide (PbS). A feed-forward neural network model with Leverberg-Marquardt back propagating training algorithm was used to predict the response (lead yield). The leaching temperature, acid concentration, solid/liquid ratio, stirring rate and leaching time were defined as input variables, while the percentage yield of lead was labelled as output variable. The multilayer perceptron with architecture of 5-9-1 provided the best performance. All the process variables were found to have significant impact on the response with p-values of 2 of 0.991 and 1.00, respectively. A non-dominated optimal response of 85.25% yield of lead at 343.96 K leaching temperature, 3.11 M hydrochloric acid concentration, 0.021 g/ml solid/liquid ratio, 362.27 rpm stirring speed and 87.37 min leaching time was established as a viable route for reduced material and operating cost using RSM.展开更多
In this paper, we are interested by the dissolution of NAPL (Non-Aqueous Phase Liquid) contaminants in heterogeneous soils or aquifers. The volume averaging technique is applied to 2D systems with Darcy-scale heteroge...In this paper, we are interested by the dissolution of NAPL (Non-Aqueous Phase Liquid) contaminants in heterogeneous soils or aquifers. The volume averaging technique is applied to 2D systems with Darcy-scale heterogeneities. A large-scale model is derived from a Darcy-scale dissolution model in the case of small and large Damkholer numbers, i.e., for smooth or sharp dissolution fronts. The resulting models in both cases have the mathematical structure of a non-equilibrium dissolution model. It is shown how to calculate the resulting mass exchange and relative permeability terms from the Darcy-scale heterogeneities and other fluid properties. One of the important finding is that the obtained values have a very different behavior compared to the Darcy-scale usual correlations. The large scale correlations are also very different between the two limit cases. The resulting large-scale models are compared favorably to Darcy-scale direct simulations.展开更多
Herein, the present paper were attempted to identify ions in LiF-DyF_3 melts according to the law of decreasing primary crystallization temperature and model analysis. Specifically.the primary crystallization temperat...Herein, the present paper were attempted to identify ions in LiF-DyF_3 melts according to the law of decreasing primary crystallization temperature and model analysis. Specifically.the primary crystallization temperatures of LiF-DyF_3 and LiF-DyF_3-Dy_2O_3 melts with various DyF_3 and Dy_2O_3 contents were determined by differential scanning calorimetry(DSC), and reactions occurring in the above melts were investigated using ideal dilute solution(Temkin and Flood) models. Moreover, crystal phases produced by rapid solidification of LiF-DyF_3, LiF-Dy_2O_3, DyF_3-Dy_2O_3, and LiF-DyF_3-Dy_2O_3 melts were identified by X-ray diffraction(XRD) analysis. The primary crystallization temperature of LiF-DyF_3 melts exhibits an approximately linear decrease with increasing molar fraction of DyF_3, and the general formula of complex ions in these melts is expressed as DyF_x^((3-x)),e.g., DyF_4^-. Finally, we investigated the dissolution of Dy_2O_3 in LiF-DyF_3 melts, showing that it was chemical in nature and afforded Dy_(1+x)O_(3x)F_(3-3x) and DyOF.展开更多
Eight dissolution models of calcium apatites(both fluorapatite and hydroxyapatite) in acids were drawn from the published literature,analyzed and discussed.Major limitations and drawbacks of the models were conversed ...Eight dissolution models of calcium apatites(both fluorapatite and hydroxyapatite) in acids were drawn from the published literature,analyzed and discussed.Major limitations and drawbacks of the models were conversed in details.The models were shown to deal with different aspects of apatite dissolution phenomenon and none of them was able to describe the dissolution process in general.Therefore,an attempt to combine the findings obtained by different researchers was performed which resulted in creation of the general description of apatite dissolution in acids.For this purpose,eight dissolution models were assumed to complement each other and provide the correct description of the specific aspects of apatite dissolution.The general description considers all possible dissolution stages involved and points out to some missing and unclear phenomena to be experimentally studied and verified in future.This creates a new methodological approach to investigate reaction mechanisms based on sets of affine data,obtained by various research groups under dissimilar experimental conditions.展开更多
Dissolution molecular mechanism of solid dispersions still remains unclear despite thousands of reports about this technique. The aim of current research was to investigate the molecular dissolution mechanism of solid...Dissolution molecular mechanism of solid dispersions still remains unclear despite thousands of reports about this technique. The aim of current research was to investigate the molecular dissolution mechanism of solid dispersions by molecular dynamics simulations. The formation of ibuprofen/polymer solid dispersions was modeled by the simulated annealing method. After that, the models of solid dispersions were immersed into the water box with 25–30 ? thicknesses and 50–100 ns MD simulations were performed to all systems.Simulation results showed various dissolution behaviors in different particle sizes and various polymers of solid dispersions. Small-sized particles of solid dispersions dissolved quickly in the water, while the large particles of PEG or PVP-containing solid dispersions gradually swelled in the dissolution process and drug molecules may aggregate together. In the dissolution process, the carboxylic groups of ibuprofen molecules turned its direction from polymer molecules to external water box and then the drug molecules left the polymer coils.At the same time, polymer coils gradually relaxed and became free polymer chains in the solution. In addition, solid dispersion with poloxamer could prevent the precipitate of drug molecules in the dissolution process, which is different from those of PEG or PVPcontaining systems. This research provided us clear images of dissolution process of solid dispersions at the molecular level.展开更多
The selective dissolution of V and Fe from spent denitrification catalyst(SDC)with oxalic acid was investigated to minimise their environmental effects.The dissolution kinetics of different elements from SDC by using ...The selective dissolution of V and Fe from spent denitrification catalyst(SDC)with oxalic acid was investigated to minimise their environmental effects.The dissolution kinetics of different elements from SDC by using 0.1–1.5 mol L^(-1) oxalic acid concentration was studied at 60℃–90℃.V and Fe were preferentially released(65%and 81%)compared with Al,Ti and W within 5 min due to the redox reactions of oxalic acid.The dissolved fractions of Fe,V,Al,Wand Ti increased with the increase of oxalic acid concentration and reaction temperature.The dissolution kinetic experiments were analysed and controlled diffusion with n<0.5 according to the Avrami dissolve reaction model(R^(2)>0.92).The Arrhenius parameters of the Ea values of Ti,W,V,Fe and Al from SDC with oxalic acid were 30,26,20,19 and 11 kJ mol^(-1),respectively.The obtained Avrami equation of V and Fe was successfully used to predict their leaching behaviour in oxalic acid.Toxicity characteristic leaching procedure revealed that the toxicity risk of Vand Fe metals from SDC after leaching with oxalic acid decreased to below 5 mg kg^(-1) residua.Overall,the leaching residua by oxalic acid indicated its safety for the environment.展开更多
Recently, the worldwide supply of rare earth element (REE) resources will be severely restricted. On the other hand, coal fly ash particles emitted from coal-fired electric power plants contain relatively high concent...Recently, the worldwide supply of rare earth element (REE) resources will be severely restricted. On the other hand, coal fly ash particles emitted from coal-fired electric power plants contain relatively high concentrations of REEs. The contents of REEs in coal fly ash are regularly several hundreds of ppmw. In order to extract and recover REEs from coal fly ash particles, as a first step, we have investigated their dissolution behavior in a dilute H2SO4 solvent. The REE content of coal fly ash specimens has been precisely determined, and their presence in the ash component of the original coal and their enrichment in coal fly ash particles during coal combustion have been suggested. REEs in coal fly ash dissolve gradually in H2SO4 over time, and this implies two types of occurrences of the REEs in coal fly ash particles. By applying the unreacted core model to the dissolution behavior of REEs in a H2SO4 solvent, we can explain both types of occurrences.展开更多
Many concrete dams seriously suffer from long-term seepage dissolution,and the induced mechanical property deterioration of concrete may significantly affect the structural performance,especially the seismic safety.An...Many concrete dams seriously suffer from long-term seepage dissolution,and the induced mechanical property deterioration of concrete may significantly affect the structural performance,especially the seismic safety.An approach is presented in this paper to quantify the influence of seepage dissolution on seismic performance of concrete dams.To connect laboratory test with numerical simulation,dissolution tests are conducted for concrete specimens and using the cumulative relative leached calcium as an aging index,a deterioration model is established to predict the mechanical property of leached concrete in the first step.A coupled seepage-calcium dissolutionmigrationmodel containing two calculation modes is proposed to simulate the spatially non-uniformdeterioration of concrete dams.Based on the simulated state of a roller compacted concrete dam subjected to 100 years of seepage dissolution,seismic responses of the damare subsequently analyzed.During which the nonlinear cracking of concrete,the radiation damping of the far-field foundation is considered.Research results show that seepage dissolution will seriously weaken the seismic safety of concrete dams because of the dissolution-induced decrease of effective thickness of the dam body.The upstream surface,dam toe and gallery wall suffer from a large degree of dissolution,whereas it is minimal and basically the same inside the dam body,at a degree of 0.19%within 100 years.The horizontal displacements of dam crest under the design static load and fortification against earthquake increase by 6.9%and 21.9%,respectively,and the dissolution-induced seismic cracking leads to the failure of dam anti-seepage system.This study can provide engineers with a reference basis for reinforcement decision of old concrete dams.展开更多
In this work,nonisothermal dissolution of intermetallic Mg_(17)Al_(12) in Mg-Al alloy has been firstly studied via Differential Scanning Calorimetry-DSC,X-Ray Diffraction-XRD and Scanning Electron Microscope-SEM as we...In this work,nonisothermal dissolution of intermetallic Mg_(17)Al_(12) in Mg-Al alloy has been firstly studied via Differential Scanning Calorimetry-DSC,X-Ray Diffraction-XRD and Scanning Electron Microscope-SEM as well as CALPHAD_based dissolution models and molecular dynamics simulation.The size and volume fraction of Mg_(17)Al_(12) phase could be predicted via the present kinetic dissolution model and agree well with experimental results.Also,the data-driven screening calculation shows that there is a range of temperature for significantly dissolving Mg_(17)Al_(12) phase,which could be increased with the increase of heating rate.The evolution of structural order for Mg_(17)Al_(12) phase has also been performed via molecular dynamics simulation with LAMMPS.The simulated results indicate that the structural order of Mg_(17)Al_(12) phase during heating is mainly affected by the Al-contained atomic pairs(Al-Al and Al-Mg),suggested that Mg atoms are thermodynamically and kinetically more active than Al atoms in Mg_(17)Al_(12) phase during heating,which has also been approved via the calculated atomic mobility of Mg and Al atoms in Mg_(17)Al_(12) phase in this work.Therefore,the atomic mobility of Mg atoms is mainly attributed to the interdiffusion coefficient of Mg_(17)Al_(12) phase which determines the dissolution of Mg_(17)Al_(12) phase during heating.The fundamental principle in this work could be used for other intermetallics and offers the greatly valuable information for optimizing the thermal processing in application of metal structural materials.展开更多
A quantitative phase field method of multi-component diffusion-controlled phase transformations coupled with the Kim-Kim-Suzuki model was applied to study the effect of initial particle size distribution （PSD） in 3D...A quantitative phase field method of multi-component diffusion-controlled phase transformations coupled with the Kim-Kim-Suzuki model was applied to study the effect of initial particle size distribution （PSD） in 3D and space distribution in 2D on dissolution of α particles in Ti-6Al-4V alloy below β transus temperature in real time and length scale. The thermodynamic and mobility data were obtained from Thermo-Calc and DICTRA softwares, respectively. The results show that the volume fractions of α particles decay with time as： f =feq ＋ （f0 -feq） exp（-Ktn） for four cases of PSD. The sequence of dissolution kinetics from fast to slow is： uniform PSD, normal PSD, lognormal PSD and bimodal PSD. The space distribution is found to be a major factor affecting the dissolution kinetics and the microstructures. When the distance of the particles is less than critical value, the dissolution rates reduce with the decrease in distance. The Al and V concentration fields around the particles appear more obvious soft impingement.展开更多
The kinetics of the interaction of MnO2, Mn2O3, and Mn3O4, with sulphuric acid solutions and the effect of oxalic acid on this process are studied. As the sulphuric acid concentration is increased from 0.1 to 5 N, the...The kinetics of the interaction of MnO2, Mn2O3, and Mn3O4, with sulphuric acid solutions and the effect of oxalic acid on this process are studied. As the sulphuric acid concentration is increased from 0.1 to 5 N, the dissolution rate of Mn2O3, Mn3O4 to MnO2 and Mn2+ ions decreases, whereas it increases with the concentration of Mn2+ ions. Upon the addition of H2Ox, the complete dissolution of Mn3O4 occurs more quickly. The reaction order with respect to the H+ and O x2- ions is +0.5 ± 0.1. A mechanism of MnO2 dissolution promotion by?O x2- is proposed. The dissolution rate was found to depend on the concentrations of?MnHOx - ions and was highest at pH 1.6 ± 0.2. A rate law and mechanism are suggested for manganese oxides dissolution.展开更多
Sodium carbonate and carboxymethyl cellulose powders are compressed into two-component tablets with three mass ratios,97%:3%,95%:5% and 93%:7%.The dissolution tests for two-component tablets and reference pure sodium ...Sodium carbonate and carboxymethyl cellulose powders are compressed into two-component tablets with three mass ratios,97%:3%,95%:5% and 93%:7%.The dissolution tests for two-component tablets and reference pure sodium carbonate tablets are carried out at various temperatures.The dissolution process of each tablet is measured by electrical conductivity tracking method and the concentration of dissolved sodium carbonate is quanti fied with calibrated conductivity-concentration converting equation of sodium carbonate.The quanti fied dissolution data is fitted with both surface reaction model and diffusion layer model and the results clearly show that surface reaction model is suggested as the appropriate dissolution model for all measured tablets.Therefore,it is determined that carboxymethyl cellulose is a stable element to remain the dissolution mechanism of tablet unchanged.The dissolution rate constant quanti fied with surface reaction model presents that carboxymethyl cellulose-sodium carbonate two-component tablets obtain signi ficant higher dissolution rate constant than pure sodium carbonate tablet and higher proportion of carboxymethyl cellulose leads to apparent higher dissolution rate constant.The results prove for the usage of carboxymethyl cellulose in most practical applications at a relative low-level,the effect of carboxymethyl cellulose is effective and positive for two-component tablet to enhance the dissolution process and improve dissolution rate constant and this effect is speculated coming from its dynamic physical transforming process in water including dilation and conglutination.展开更多
The finite dissolution model of silicon particles in the aluminum melt is built and calculated by the finite difference method, and the lower dissolution limit of silicon particles in the aluminum melt is proposed and...The finite dissolution model of silicon particles in the aluminum melt is built and calculated by the finite difference method, and the lower dissolution limit of silicon particles in the aluminum melt is proposed and verified by experiments, which could be the origin of microinhomogeneity in aluminum-silicon melts. When the effects of curvature and interface reaction on dissolution are not considered; the dissolution rate first decreases and later increases with time. When the effects of curvature and interface reaction on dissolution are considered, the dissolution rate first decreases and later increases when the interface reaction coefficient （k） is larger than 10 1, and the dissolution rate first decreases and later tends to be constant when k is smaller than 10-3. The dissolution is controlled by both diffusion and interface reaction when k is larger than 10-3, while the dissolution is controlled only by the interface reaction when k is smaller than 10-4.展开更多
基金finacially supported by the National Key Research and Development Program of China(No.2022YFE0135100)the National Natural Science Found-ation of China(Nos.52378255,52278270,and 52008151).
文摘Copper-nickel tailings(CNTs),consisting of more than 80wt%magnesium-bearing silicate minerals,show great potential for CO_(2)mineral sequestration.The dissolution kinetics of CNTs in HCl solution was investigated through a leaching experiment and kinetic modeling,and the effects of reaction time,HCl concentration,solid-to-liquid ratio,and reaction temperature on the leaching rate of mag-nesium were comprehensively studied.Results show that the suitable leaching conditions for magnesium in CNTs are 2 M HCl,a solid-to-liquid ratio of 50 g·L^(−1),and 90℃,at which the maximum leaching rate of magnesium is as high as 83.88%.A modified shrinking core model can well describe the leaching kinetics of magnesium.The dissolution of magnesium was dominated by a combination of chemical reaction and product layer diffusion,with a calculated apparent activation energy of 77.51 kJ·mol^(−1).This study demonstrates the feasibil-ity of using CNTs as a media for CO_(2)mineral sequestration.
文摘In this work, the non-isothermal dissolution kinetics of the sigma phase in duplex stainless steels has been studied and modelled. A semi-empirical model is proposed to describe the kinetics of sigma phase precipitation/dissolution during continuous heating starting from the isothermal transformation kinetics. The proposed model, which presumes validity of the additivity rule, is validated by means of experimental investigations. A good agreement is found between experimental and analytical results.
基金financial supports from the National Natural Science Foundation of China (No. 51704126)the Natural Science Foundation of Jiangsu Province, China (No. BK20170551)Jiangsu Planned Projects for Postdoctoral Research Funds, China (No. 2019K046)。
文摘The full alumina dissolution process in aluminum electrolysis cells was investigated using an improved computational fluid dynamics(CFD)model based on the previous researches by consideration of agglomerate formation.The results show that the total mass of alumina agglomerate and its maximum size are mainly dependent on the feeding amount and increase with increasing it.Higher superheat can effectively inhibit the agglomerate formation and thus promote the full alumina dissolution behavior.The full alumina dissolution process mainly includes a fast stage and a slow stage,with an average dissolution rate of 17.24 kg/min and 1.53 kg/min,respectively.About 50%(mass percentage)of the total alumina particles,almost all of which are the well-dispersed alumina fine grains,dissolve within the fast dissolution stage of about 10 s.The maximum values of the average dissolution rate and final percentage of the cumulative dissolved alumina mass are obtained with a feeding amount of 1.8 kg for a superheat of 12℃.The formation of the alumina agglomerates and slow dissolution characteristics play a dominant role in the full dissolution of alumina particles.
基金National Natural Science Foundation of China(Grant Nos.51504048,51874060,51874059 and 51611130062)The authors would like to acknowledge the members of Laboratory of Metallurgy and Materials,Chongqing University,for the support of this work.
文摘A combined model to predict austenite grains growth of titanium micro-alloyed as-cast steel during reheating process was established.The model invoIves the behaviors of austenite grains growth in continuous heating process and isothermal soaking process,and the variation of boundary pinning efficiency caused by the dissolution and coarsening kinetics of sec on d-phase particles was also con sidered into the model.Furthermore,the experimental verificatio ns were performed to examine the prediction power of the model.The results revealed that the mean austenite grains size increased with the increase in reheating temperature and soaking time,and the coarsening temperature of austenite grains growth was 1423 K under the current titanium content.In addition,the reliability of the predicted results in continuous heating process was validated by continuous heating experimenls.Moreover,an optimal regression expression of austenite grains growth in isothermal soaking process was obtained based on the experimental results.The compared results indicated that the combined model in conjunction with precipitates dissolution and coarsening kinetics had good reliability and accuracy to predict the austenite grains growth of titanium micro-alloyed casting steel during reheating process.
基金supported by the National Key Research and Development Project (Grant No. SQ2017YFSF060085)the National Natural Science Foundation of China (NSFC)(Grant Nos. 41472257, 41530638, and 41372302)+1 种基金the Special Fund Key Project of Applied Science and Technology Research and Development in Guangdong (Grant No. 2016B010124007)the Special Support Program for High Level Talents in Guangdong (Grant No. 2015TQ01Z344)
文摘The deformation and failure of soft rock affected by hydro-mechanical（HM） effect are one of the most concerns in geotechnical engineering, which are basically attributed to the grain sliding of soft rock. This study tried to develop a dissolution-diffusion sliding model for the typical red bed soft rock in South China. Based on hydration film, mineral dissolution and diffusion theory, and geochemical thermodynamics, a dissolution-diffusion sliding model with the HM effect was established to account for the sliding rate. Combined with the digital image processing technology, the relationship between the grain size of soft rock and the amplitude of sliding surface was presented. An equation for the strain rate of soft rocks under steady state was also derived. The reliability of the dissolution-diffusion sliding model was verified by triaxial creep tests on the soft rock with the HM coupling effect and by the relationship between the inversion average disjoining pressure and the average thickness of the hydration film. The results showed that the sliding rate of the soft rock grains was affected significantly by the waviness of sliding surface, the shear stress, and the average thickness of hydration film. The average grain size is essential for controlling the steady-state creep rate of soft rock. This study provides a new idea for investigating the deformation and failure of soft rock with the HM effect.
文摘The subsoil contains many evaporites such as limestone,gypsum,and salt.Such rocks are very sensitive to water.The deposit of evaporites raises questions because of their dissolution with time and the mechanical-geotechnical impact on the neighboring zone.Depending on the configuration of the site and the location of the rocks,the dissolution can lead to surface subsidence and,for instance,the formation of sinkholes and landslides.In this study,we present an approach that describes the dissolution process and its coupling with geotechnical engineering.In the first part we set the physico-mathematical framework,the hypothesis,and the limitations in which the dissolution process is stated.The physical interface between the fluid and the rock(porous)is represented by a diffuse interface of finite thickness.We briefly describe,in the framework of porous media,the steps needed to upscale the microscopic-scale(pore-scale)model to the macroscopic scale(Darcy scale).Although the constructed method has a large range of application,we will restrict it to saline and gypsum rocks.The second part is mainly devoted to the geotechnical consequences of the dissolution of gypsum material.We then analyze the effect of dissolution in the vicinity of a soil dam or slope and the partial dissolution of a gypsum pillar by a thin layer of water.These theoretical examples show the relevance and the potential of the approach in the general framework of geoengineering problems.
文摘Response surface methodology (RSM) and Artificial neural network (ANN) were used for the simulation and optimization of galena dissolution in hydrochloric acid. The galena ore was characterized for structure elucidation using FTIR, SEM and X-ray diffraction spectroscopic techniques and the results indicate that the galena ore exists mainly as lead sulphide (PbS). A feed-forward neural network model with Leverberg-Marquardt back propagating training algorithm was used to predict the response (lead yield). The leaching temperature, acid concentration, solid/liquid ratio, stirring rate and leaching time were defined as input variables, while the percentage yield of lead was labelled as output variable. The multilayer perceptron with architecture of 5-9-1 provided the best performance. All the process variables were found to have significant impact on the response with p-values of 2 of 0.991 and 1.00, respectively. A non-dominated optimal response of 85.25% yield of lead at 343.96 K leaching temperature, 3.11 M hydrochloric acid concentration, 0.021 g/ml solid/liquid ratio, 362.27 rpm stirring speed and 87.37 min leaching time was established as a viable route for reduced material and operating cost using RSM.
文摘In this paper, we are interested by the dissolution of NAPL (Non-Aqueous Phase Liquid) contaminants in heterogeneous soils or aquifers. The volume averaging technique is applied to 2D systems with Darcy-scale heterogeneities. A large-scale model is derived from a Darcy-scale dissolution model in the case of small and large Damkholer numbers, i.e., for smooth or sharp dissolution fronts. The resulting models in both cases have the mathematical structure of a non-equilibrium dissolution model. It is shown how to calculate the resulting mass exchange and relative permeability terms from the Darcy-scale heterogeneities and other fluid properties. One of the important finding is that the obtained values have a very different behavior compared to the Darcy-scale usual correlations. The large scale correlations are also very different between the two limit cases. The resulting large-scale models are compared favorably to Darcy-scale direct simulations.
基金Project supported by the National Natural Science Foundation of China(5167041092,51564015)Natural Science Foundation of Jiangxi Province(20161BAB206142)Outstanding Doctoral Dissertation Project Fund of JXUST(YB2017007)
文摘Herein, the present paper were attempted to identify ions in LiF-DyF_3 melts according to the law of decreasing primary crystallization temperature and model analysis. Specifically.the primary crystallization temperatures of LiF-DyF_3 and LiF-DyF_3-Dy_2O_3 melts with various DyF_3 and Dy_2O_3 contents were determined by differential scanning calorimetry(DSC), and reactions occurring in the above melts were investigated using ideal dilute solution(Temkin and Flood) models. Moreover, crystal phases produced by rapid solidification of LiF-DyF_3, LiF-Dy_2O_3, DyF_3-Dy_2O_3, and LiF-DyF_3-Dy_2O_3 melts were identified by X-ray diffraction(XRD) analysis. The primary crystallization temperature of LiF-DyF_3 melts exhibits an approximately linear decrease with increasing molar fraction of DyF_3, and the general formula of complex ions in these melts is expressed as DyF_x^((3-x)),e.g., DyF_4^-. Finally, we investigated the dissolution of Dy_2O_3 in LiF-DyF_3 melts, showing that it was chemical in nature and afforded Dy_(1+x)O_(3x)F_(3-3x) and DyOF.
文摘Eight dissolution models of calcium apatites(both fluorapatite and hydroxyapatite) in acids were drawn from the published literature,analyzed and discussed.Major limitations and drawbacks of the models were conversed in details.The models were shown to deal with different aspects of apatite dissolution phenomenon and none of them was able to describe the dissolution process in general.Therefore,an attempt to combine the findings obtained by different researchers was performed which resulted in creation of the general description of apatite dissolution in acids.For this purpose,eight dissolution models were assumed to complement each other and provide the correct description of the specific aspects of apatite dissolution.The general description considers all possible dissolution stages involved and points out to some missing and unclear phenomena to be experimentally studied and verified in future.This creates a new methodological approach to investigate reaction mechanisms based on sets of affine data,obtained by various research groups under dissimilar experimental conditions.
基金University of Macao research grants (MYRG2016-00038-ICMSQRCM and MYRG2016-00040-ICMS-QRCM) are gratefully acknowledged for providing financial support
文摘Dissolution molecular mechanism of solid dispersions still remains unclear despite thousands of reports about this technique. The aim of current research was to investigate the molecular dissolution mechanism of solid dispersions by molecular dynamics simulations. The formation of ibuprofen/polymer solid dispersions was modeled by the simulated annealing method. After that, the models of solid dispersions were immersed into the water box with 25–30 ? thicknesses and 50–100 ns MD simulations were performed to all systems.Simulation results showed various dissolution behaviors in different particle sizes and various polymers of solid dispersions. Small-sized particles of solid dispersions dissolved quickly in the water, while the large particles of PEG or PVP-containing solid dispersions gradually swelled in the dissolution process and drug molecules may aggregate together. In the dissolution process, the carboxylic groups of ibuprofen molecules turned its direction from polymer molecules to external water box and then the drug molecules left the polymer coils.At the same time, polymer coils gradually relaxed and became free polymer chains in the solution. In addition, solid dispersion with poloxamer could prevent the precipitate of drug molecules in the dissolution process, which is different from those of PEG or PVPcontaining systems. This research provided us clear images of dissolution process of solid dispersions at the molecular level.
基金The authors are grateful for the financial support of the National Natural Science Foundation of China(No.51574214).
文摘The selective dissolution of V and Fe from spent denitrification catalyst(SDC)with oxalic acid was investigated to minimise their environmental effects.The dissolution kinetics of different elements from SDC by using 0.1–1.5 mol L^(-1) oxalic acid concentration was studied at 60℃–90℃.V and Fe were preferentially released(65%and 81%)compared with Al,Ti and W within 5 min due to the redox reactions of oxalic acid.The dissolved fractions of Fe,V,Al,Wand Ti increased with the increase of oxalic acid concentration and reaction temperature.The dissolution kinetic experiments were analysed and controlled diffusion with n<0.5 according to the Avrami dissolve reaction model(R^(2)>0.92).The Arrhenius parameters of the Ea values of Ti,W,V,Fe and Al from SDC with oxalic acid were 30,26,20,19 and 11 kJ mol^(-1),respectively.The obtained Avrami equation of V and Fe was successfully used to predict their leaching behaviour in oxalic acid.Toxicity characteristic leaching procedure revealed that the toxicity risk of Vand Fe metals from SDC after leaching with oxalic acid decreased to below 5 mg kg^(-1) residua.Overall,the leaching residua by oxalic acid indicated its safety for the environment.
文摘Recently, the worldwide supply of rare earth element (REE) resources will be severely restricted. On the other hand, coal fly ash particles emitted from coal-fired electric power plants contain relatively high concentrations of REEs. The contents of REEs in coal fly ash are regularly several hundreds of ppmw. In order to extract and recover REEs from coal fly ash particles, as a first step, we have investigated their dissolution behavior in a dilute H2SO4 solvent. The REE content of coal fly ash specimens has been precisely determined, and their presence in the ash component of the original coal and their enrichment in coal fly ash particles during coal combustion have been suggested. REEs in coal fly ash dissolve gradually in H2SO4 over time, and this implies two types of occurrences of the REEs in coal fly ash particles. By applying the unreacted core model to the dissolution behavior of REEs in a H2SO4 solvent, we can explain both types of occurrences.
基金This work was supported by the National Natural Science Foundation of China(Grant Nos.51709021,52079120)the project funded by China Postdoctoral Science Foundation(Grant No.2020M670387)the Belt and Road Special Foundation of the State Key Laboratory of Hydrology-Water Resources and Hydraulic Engineering(Grant No.2019nkzd03).
文摘Many concrete dams seriously suffer from long-term seepage dissolution,and the induced mechanical property deterioration of concrete may significantly affect the structural performance,especially the seismic safety.An approach is presented in this paper to quantify the influence of seepage dissolution on seismic performance of concrete dams.To connect laboratory test with numerical simulation,dissolution tests are conducted for concrete specimens and using the cumulative relative leached calcium as an aging index,a deterioration model is established to predict the mechanical property of leached concrete in the first step.A coupled seepage-calcium dissolutionmigrationmodel containing two calculation modes is proposed to simulate the spatially non-uniformdeterioration of concrete dams.Based on the simulated state of a roller compacted concrete dam subjected to 100 years of seepage dissolution,seismic responses of the damare subsequently analyzed.During which the nonlinear cracking of concrete,the radiation damping of the far-field foundation is considered.Research results show that seepage dissolution will seriously weaken the seismic safety of concrete dams because of the dissolution-induced decrease of effective thickness of the dam body.The upstream surface,dam toe and gallery wall suffer from a large degree of dissolution,whereas it is minimal and basically the same inside the dam body,at a degree of 0.19%within 100 years.The horizontal displacements of dam crest under the design static load and fortification against earthquake increase by 6.9%and 21.9%,respectively,and the dissolution-induced seismic cracking leads to the failure of dam anti-seepage system.This study can provide engineers with a reference basis for reinforcement decision of old concrete dams.
基金support from Fundamental Research Funds for the Central Universities under Award Number 06500161。
文摘In this work,nonisothermal dissolution of intermetallic Mg_(17)Al_(12) in Mg-Al alloy has been firstly studied via Differential Scanning Calorimetry-DSC,X-Ray Diffraction-XRD and Scanning Electron Microscope-SEM as well as CALPHAD_based dissolution models and molecular dynamics simulation.The size and volume fraction of Mg_(17)Al_(12) phase could be predicted via the present kinetic dissolution model and agree well with experimental results.Also,the data-driven screening calculation shows that there is a range of temperature for significantly dissolving Mg_(17)Al_(12) phase,which could be increased with the increase of heating rate.The evolution of structural order for Mg_(17)Al_(12) phase has also been performed via molecular dynamics simulation with LAMMPS.The simulated results indicate that the structural order of Mg_(17)Al_(12) phase during heating is mainly affected by the Al-contained atomic pairs(Al-Al and Al-Mg),suggested that Mg atoms are thermodynamically and kinetically more active than Al atoms in Mg_(17)Al_(12) phase during heating,which has also been approved via the calculated atomic mobility of Mg and Al atoms in Mg_(17)Al_(12) phase in this work.Therefore,the atomic mobility of Mg atoms is mainly attributed to the interdiffusion coefficient of Mg_(17)Al_(12) phase which determines the dissolution of Mg_(17)Al_(12) phase during heating.The fundamental principle in this work could be used for other intermetallics and offers the greatly valuable information for optimizing the thermal processing in application of metal structural materials.
基金support from the National Natural Science Foundation of China (Nos. 51601078 and 51201147)the National Key R&D Program of China (Grant No. 2016YFB0701302)+1 种基金the Informalization Construction Program of Chinese Academy of Science (INFO-115-B01)Shenyang Supercomputer Centers for the computational resource of Chinese Academy of Science
文摘A quantitative phase field method of multi-component diffusion-controlled phase transformations coupled with the Kim-Kim-Suzuki model was applied to study the effect of initial particle size distribution （PSD） in 3D and space distribution in 2D on dissolution of α particles in Ti-6Al-4V alloy below β transus temperature in real time and length scale. The thermodynamic and mobility data were obtained from Thermo-Calc and DICTRA softwares, respectively. The results show that the volume fractions of α particles decay with time as： f =feq ＋ （f0 -feq） exp（-Ktn） for four cases of PSD. The sequence of dissolution kinetics from fast to slow is： uniform PSD, normal PSD, lognormal PSD and bimodal PSD. The space distribution is found to be a major factor affecting the dissolution kinetics and the microstructures. When the distance of the particles is less than critical value, the dissolution rates reduce with the decrease in distance. The Al and V concentration fields around the particles appear more obvious soft impingement.
文摘The kinetics of the interaction of MnO2, Mn2O3, and Mn3O4, with sulphuric acid solutions and the effect of oxalic acid on this process are studied. As the sulphuric acid concentration is increased from 0.1 to 5 N, the dissolution rate of Mn2O3, Mn3O4 to MnO2 and Mn2+ ions decreases, whereas it increases with the concentration of Mn2+ ions. Upon the addition of H2Ox, the complete dissolution of Mn3O4 occurs more quickly. The reaction order with respect to the H+ and O x2- ions is +0.5 ± 0.1. A mechanism of MnO2 dissolution promotion by?O x2- is proposed. The dissolution rate was found to depend on the concentrations of?MnHOx - ions and was highest at pH 1.6 ± 0.2. A rate law and mechanism are suggested for manganese oxides dissolution.
基金financially supported by the National Natural Science Foundation of China(No.51204011)the Science and Technology Project for the Guidance Teacher of Beijing Excellent Doctoral Dissertation(No.20121000803)
基金the Institute of Particle and Science Engineering,University of Leeds and Procter & Gamble Newcastle Innovation Centre(UK) for partially funding the project
文摘Sodium carbonate and carboxymethyl cellulose powders are compressed into two-component tablets with three mass ratios,97%:3%,95%:5% and 93%:7%.The dissolution tests for two-component tablets and reference pure sodium carbonate tablets are carried out at various temperatures.The dissolution process of each tablet is measured by electrical conductivity tracking method and the concentration of dissolved sodium carbonate is quanti fied with calibrated conductivity-concentration converting equation of sodium carbonate.The quanti fied dissolution data is fitted with both surface reaction model and diffusion layer model and the results clearly show that surface reaction model is suggested as the appropriate dissolution model for all measured tablets.Therefore,it is determined that carboxymethyl cellulose is a stable element to remain the dissolution mechanism of tablet unchanged.The dissolution rate constant quanti fied with surface reaction model presents that carboxymethyl cellulose-sodium carbonate two-component tablets obtain signi ficant higher dissolution rate constant than pure sodium carbonate tablet and higher proportion of carboxymethyl cellulose leads to apparent higher dissolution rate constant.The results prove for the usage of carboxymethyl cellulose in most practical applications at a relative low-level,the effect of carboxymethyl cellulose is effective and positive for two-component tablet to enhance the dissolution process and improve dissolution rate constant and this effect is speculated coming from its dynamic physical transforming process in water including dilation and conglutination.
基金supported by the National Basic Research Program of China(Grant No.2013CB632203)
文摘The finite dissolution model of silicon particles in the aluminum melt is built and calculated by the finite difference method, and the lower dissolution limit of silicon particles in the aluminum melt is proposed and verified by experiments, which could be the origin of microinhomogeneity in aluminum-silicon melts. When the effects of curvature and interface reaction on dissolution are not considered; the dissolution rate first decreases and later increases with time. When the effects of curvature and interface reaction on dissolution are considered, the dissolution rate first decreases and later increases when the interface reaction coefficient （k） is larger than 10 1, and the dissolution rate first decreases and later tends to be constant when k is smaller than 10-3. The dissolution is controlled by both diffusion and interface reaction when k is larger than 10-3, while the dissolution is controlled only by the interface reaction when k is smaller than 10-4.
